1-benzyl-4-(2-fluorophenoxy)pyrazole

C16H13FN2O — CID 117234109

IUPAC1-benzyl-4-(2-fluorophenoxy)pyrazole
SMILESFc1ccccc1Oc1cnn(Cc2ccccc2)c1
InChIInChI=1S/C16H13FN2O/c17-15-8-4-5-9-16(15)20-14-10-18-19(12-14)11-13-6-2-1-3-7-13/h1-10,12H,11H2
InChIKeyMXSJFQYRALEXRZ-UHFFFAOYSA-N
MW268.29 g/mol
LogP3.86
Rot. Bonds4

About 1-benzyl-4-(2-fluorophenoxy)pyrazole

1-benzyl-4-(2-fluorophenoxy)pyrazole (PubChem CID 117234109) has the molecular formula C16H13FN2O and a molecular weight of 268.29 g/mol. Its IUPAC name is 1-benzyl-4-(2-fluorophenoxy)pyrazole.

Molecular Properties

Compound Name1-benzyl-4-(2-fluorophenoxy)pyrazole
PubChem CID117234109
Molecular FormulaC16H13FN2O
Molecular Weight268.29 g/mol
Exact Mass268.10
IUPAC Name1-benzyl-4-(2-fluorophenoxy)pyrazole
SMILESFc1ccccc1Oc1cnn(Cc2ccccc2)c1
InChIInChI=1S/C16H13FN2O/c17-15-8-4-5-9-16(15)20-14-10-18-19(12-14)11-13-6-2-1-3-7-13/h1-10,12H,11H2
InChIKeyMXSJFQYRALEXRZ-UHFFFAOYSA-N
XLogP3.86
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-4-(2-methoxyphenoxy)pyrazole
CID 117234112
2-[4-(2-fluorophenoxy)pyrazol-1-yl]ethanol
CID 117124831
1-benzyl-4-thiophen-2-yloxypyrazole
CID 117233985
N-[(1-benzylpyrazol-4-yl)methyl]-3-(2-fluorophenoxy)propanamide
CID 47035459
2-[(1-benzylpyrazol-4-yl)oxymethyl]phenol
CID 117234046
4-[2-(chloromethyl)phenoxy]-1-ethylpyrazole
CID 116802044
2-[4-(2-bromophenoxy)pyrazol-1-yl]ethanamine
CID 115051835
1-[2-fluoro-6-(1-propylpyrazol-4-yl)oxyphenyl]ethanamine
CID 116801704
1-(chloromethyl)-4-(2-fluorophenoxy)benzene
CID 22293096
ethane;1-fluoro-2-phenoxybenzene
CID 170962676
1-benzyl-N-[(4-fluorophenyl)methyl]pyrazol-4-amine
CID 60930766
2-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]oxyethanamine;hydrochloride
CID 164576523

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(2-fluorophenoxy)pyrazole?
The IUPAC name of 1-benzyl-4-(2-fluorophenoxy)pyrazole (CID 117234109) is 1-benzyl-4-(2-fluorophenoxy)pyrazole.
What is the SMILES notation for 1-benzyl-4-(2-fluorophenoxy)pyrazole?
The canonical SMILES for 1-benzyl-4-(2-fluorophenoxy)pyrazole is Fc1ccccc1Oc1cnn(Cc2ccccc2)c1.
What is the InChIKey of 1-benzyl-4-(2-fluorophenoxy)pyrazole?
The InChIKey is MXSJFQYRALEXRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O/c17-15-8-4-5-9-16(15)20-14-10-18-19(12-14)11-13-6-2-1-3-7-13/h1-10,12H,11H2.
What are the key properties of 1-benzyl-4-(2-fluorophenoxy)pyrazole?
1-benzyl-4-(2-fluorophenoxy)pyrazole has a molecular weight of 268.29 g/mol, XLogP of 3.86, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(2-fluorophenoxy)pyrazole is sourced from PubChem (CID 117234109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).